Purine-6-ol, 2,8-dimercapto-

Base Information

• Chemical Name: Purine-6-ol, 2,8-dimercapto-
• CAS No.: 15986-32-0
• Molecular Formula: C5H4 N4 O S2
• Molecular Weight: 200.245
• Hs Code.: 2933990090
• European Community (EC) Number: 240-120-2
• NSC Number: 680829,22715
• UNII: D7JFZ7X71T
• DSSTox Substance ID: DTXSID60166752
• Nikkaji Number: J14.770B
• Wikidata: Q27455803
• ChEMBL ID: CHEMBL1416049
• Mol file: 15986-32-0.mol

Synonyms:2,8-dimercapto-6-hydroxypurine

Chemical Property of Purine-6-ol, 2,8-dimercapto-

Chemical Property:

• Vapor Pressure: 0.00048mmHg at 25°C
• Melting Point: >320℃
• Boiling Point: 314°C at 760 mmHg
• PKA: 7.53±0.20(Predicted)
• Flash Point: 143.7°C
• PSA: 152.29000
• Density: 1.89g/cm³
• LogP: 0.63590
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.98265311
• Heavy Atom Count: 12
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

2,8-DITHIO-6-OXYPURINE ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(NC(=S)N1)NC(=S)NC2=O

Technology Process of Purine-6-ol, 2,8-dimercapto-

There total 1 articles about Purine-6-ol, 2,8-dimercapto- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

thiourea (17356-08-0) → 2,8-dithio-uric acid (15986-32-0)

Guidance literature:

at 180 ℃;

Reference yield:

2,8-dithio-uric acid (15986-32-0) + dimethyl sulfate (77-78-1) → 2,8-bis-methylsulfanyl-1,7-dihydro-purin-6-one (51292-02-5)

Guidance literature:

DOI:10.1021/ja01521a033

Reference yield:

2,8-dithio-uric acid (15986-32-0) + methyl iodide (74-88-4) → 2,8-bis-methylsulfanyl-1,7-dihydro-purin-6-one (51292-02-5)

Guidance literature:

DOI:10.1021/ja01531a037

upstream raw materials:

thiourea

Downstream raw materials:

2,8-bis-methylsulfanyl-1,7-dihydro-purin-6-one